Products 687626-25-1

CAS 687626-25-1 appears in our catalog under these names: 3–(6–((2,5–Dioxopyrrolidin–1–yl)oxy)–6–oxohexyl)–2–((1E,3E)–3–(3–(6–((2,5–dioxopyrrolidin–1–yl)oxy)–6–oxohexyl)–1,1–dimethyl–6,8–disulfo–1H–benzo(e)indol–2(3H)–ylidene)prop–1–en–1–yl)–1,1–dimethyl–8–sulfo–1H–benzo(e)indol–3–ium–6–sulfonate, Cy3.5 DiSE(tetra SO3) triethylamine. Offered by: GLPBio, Biosynth. Available pack sizes: 1g, 0,5g, 2g.

Structural formula: {0} (CAS {1})

3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[3-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate (CAS 687626-25-1) is a chemical compound with the molecular formula C51H54N4O20S4 and a molecular weight of 1171.3 g/mol. IUPAC name: 3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[3-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate. InChIKey: USIATRQVIRQFLY-UHFFFAOYSA-N.

Identity
Molecular formulaC51H54N4O20S4
Molecular weight1171.3 g/mol
IUPAC name3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[3-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate
InChIKeyUSIATRQVIRQFLY-UHFFFAOYSA-N
SMILESCC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)ON4C(=O)CCC4=O)C=CC=C5C(C6=C(N5CCCCCC(=O)ON7C(=O)CCC7=O)C=CC8=C6C=C(C=C8S(=O)(=O)[O-])S(=O)(=O)O)(C)C)C

Computed by PubChem (NCBI)